Compound registry
KIN-07 · EGFR mutant-selective — structures, computed properties and batches
Series
Status
| Structure | Compound | Series | R-groups | Formula | MW | cLogP | TPSA (Ų) | Batches | pIC50 mut | Status |
|---|---|---|---|---|---|---|---|---|---|---|
| AFN-002550 | A | R1 SO2Me · R2 F · Ar 3,5-diF-phenyl | C17H12F3N3O2S | 379.4 | 3.71 | 72.0 | 0 | — | designed | |
| AFN-002551 | A | R1 SO2Me · R2 F · Ar Thiophen-2-yl | C15H12FN3O2S2 | 349.4 | 3.49 | 72.0 | 0 | — | designed | |
| AFN-002552 | A | R1 SO2Me · R2 F · Ar Thiophen-3-yl | C15H12FN3O2S2 | 349.4 | 3.49 | 72.0 | 0 | — | designed | |
| AFN-002553 | A | R1 SO2Me · R2 F · Ar Furan-3-yl | C15H12FN3O3S | 333.3 | 3.02 | 85.1 | 0 | — | designed | |
| AFN-002554 | A | R1 SO2Me · R2 F · Ar 1-Me-pyrazol-4-yl | C15H14FN5O2S | 347.4 | 2.16 | 89.8 | 0 | — | designed | |
| AFN-002555 | A | R1 SO2Me · R2 F · Ar 1-Me-indol-3-yl | C20H17FN4O2S | 396.4 | 3.92 | 76.9 | 0 | — | designed | |
| AFN-002556 | A | R1 SO2Me · R2 F · Ar Naphthalen-2-yl | C21H16FN3O2S | 393.4 | 4.58 | 72.0 | 0 | — | designed | |
| AFN-002557 | A | R1 SO2Me · R2 F · Ar Pyrimidin-5-yl | C15H12FN5O2S | 345.4 | 2.22 | 97.7 | 1 | 7.51 | tested | |
| AFN-002558 | A | R1 SO2Me · R2 F · Ar Quinolin-3-yl | C20H15FN4O2S | 394.4 | 3.98 | 84.8 | 0 | — | designed | |
| AFN-002559 | A | R1 SO2Me · R2 F · Ar 6-MeO-pyridin-3-yl | C17H15FN4O3S | 374.4 | 2.83 | 94.1 | 0 | — | designed | |
| AFN-002560 | A | R1 SO2Me · R2 Cl · Ar Phenyl | C17H14ClN3O2S | 359.8 | 3.94 | 72.0 | 0 | — | designed | |
| AFN-002561 | A | R1 SO2Me · R2 Cl · Ar Pyridin-3-yl | C16H13ClN4O2S | 360.8 | 3.34 | 84.8 | 0 | — | designed | |
| AFN-002562 | A | R1 SO2Me · R2 Cl · Ar Pyridin-4-yl | C16H13ClN4O2S | 360.8 | 3.34 | 84.8 | 0 | — | designed | |
| AFN-002563 | A | R1 SO2Me · R2 Cl · Ar Pyridin-2-yl | C16H13ClN4O2S | 360.8 | 3.34 | 84.8 | 0 | — | designed | |
| AFN-002564 | A | R1 SO2Me · R2 Cl · Ar 3-F-phenyl | C17H13ClFN3O2S | 377.8 | 4.08 | 72.0 | 0 | — | designed | |
| AFN-002565 | A | R1 SO2Me · R2 Cl · Ar 4-F-phenyl | C17H13ClFN3O2S | 377.8 | 4.08 | 72.0 | 0 | — | designed | |
| AFN-002566 | A | R1 SO2Me · R2 Cl · Ar 3-Cl-phenyl | C17H13Cl2N3O2S | 394.3 | 4.60 | 72.0 | 1 | 7.23 | tested | |
| AFN-002567 | A | R1 SO2Me · R2 Cl · Ar 3-MeO-phenyl | C18H16ClN3O3S | 389.9 | 3.95 | 81.2 | 0 | — | designed | |
| AFN-002568 | A | R1 SO2Me · R2 Cl · Ar 2-MeO-phenyl | C18H16ClN3O3S | 389.9 | 3.95 | 81.2 | 0 | — | designed | |
| AFN-002569 | A | R1 SO2Me · R2 Cl · Ar 3-CN-phenyl | C18H13ClN4O2S | 384.9 | 3.82 | 95.7 | 0 | — | designed | |
| AFN-002570 | A | R1 SO2Me · R2 Cl · Ar 3,5-diF-phenyl | C17H12ClF2N3O2S | 395.8 | 4.22 | 72.0 | 0 | — | designed | |
| AFN-002571 | A | R1 SO2Me · R2 Cl · Ar Thiophen-2-yl | C15H12ClN3O2S2 | 365.9 | 4.01 | 72.0 | 0 | — | designed | |
| AFN-002572 | A | R1 SO2Me · R2 Cl · Ar Thiophen-3-yl | C15H12ClN3O2S2 | 365.9 | 4.01 | 72.0 | 0 | — | designed | |
| AFN-002573 | A | R1 SO2Me · R2 Cl · Ar Furan-3-yl | C15H12ClN3O3S | 349.8 | 3.54 | 85.1 | 0 | — | designed | |
| AFN-002574 | A | R1 SO2Me · R2 Cl · Ar 1-Me-pyrazol-4-yl | C15H14ClN5O2S | 363.8 | 2.68 | 89.8 | 0 | — | designed | |
| AFN-002575 | A | R1 SO2Me · R2 Cl · Ar 1-Me-indol-3-yl | C20H17ClN4O2S | 412.9 | 4.44 | 76.9 | 0 | — | designed | |
| AFN-002576 | A | R1 SO2Me · R2 Cl · Ar Naphthalen-2-yl | C21H16ClN3O2S | 409.9 | 5.10 | 72.0 | 0 | — | designed | |
| AFN-002577 | A | R1 SO2Me · R2 Cl · Ar Pyrimidin-5-yl | C15H12ClN5O2S | 361.8 | 2.73 | 97.7 | 0 | — | designed | |
| AFN-002578 | A | R1 SO2Me · R2 Cl · Ar Quinolin-3-yl | C20H15ClN4O2S | 410.9 | 4.49 | 84.8 | 0 | — | designed | |
| AFN-002579 | A | R1 SO2Me · R2 Cl · Ar 6-MeO-pyridin-3-yl | C17H15ClN4O3S | 390.9 | 3.35 | 94.1 | 0 | — | designed | |
| AFN-002580 | A | R1 SO2Me · R2 Br · Ar Phenyl | C17H14BrN3O2S | 404.3 | 4.05 | 72.0 | 1 | 6.85 | tested | |
| AFN-002581 | A | R1 SO2Me · R2 Br · Ar Pyridin-3-yl | C16H13BrN4O2S | 405.3 | 3.45 | 84.8 | 1 | 7.55 | tested | |
| AFN-002582 | A | R1 SO2Me · R2 Br · Ar Pyridin-4-yl | C16H13BrN4O2S | 405.3 | 3.45 | 84.8 | 0 | — | designed | |
| AFN-002583 | A | R1 SO2Me · R2 Br · Ar Pyridin-2-yl | C16H13BrN4O2S | 405.3 | 3.45 | 84.8 | 0 | — | designed | |
| AFN-002584 | A | R1 SO2Me · R2 Br · Ar 3-F-phenyl | C17H13BrFN3O2S | 422.3 | 4.19 | 72.0 | 0 | — | designed | |
| AFN-002585 | A | R1 SO2Me · R2 Br · Ar 4-F-phenyl | C17H13BrFN3O2S | 422.3 | 4.19 | 72.0 | 0 | — | designed | |
| AFN-002586 | A | R1 SO2Me · R2 Br · Ar 3-Cl-phenyl | C17H13BrClN3O2S | 438.7 | 4.71 | 72.0 | 0 | — | designed | |
| AFN-002587 | A | R1 SO2Me · R2 Br · Ar 3-MeO-phenyl | C18H16BrN3O3S | 434.3 | 4.06 | 81.2 | 0 | — | designed | |
| AFN-002588 | A | R1 SO2Me · R2 Br · Ar 2-MeO-phenyl | C18H16BrN3O3S | 434.3 | 4.06 | 81.2 | 0 | — | designed | |
| AFN-002589 | A | R1 SO2Me · R2 Br · Ar 3-CN-phenyl | C18H13BrN4O2S | 429.3 | 3.92 | 95.7 | 0 | — | designed | |
| AFN-002590 | A | R1 SO2Me · R2 Br · Ar 3,5-diF-phenyl | C17H12BrF2N3O2S | 440.3 | 4.33 | 72.0 | 0 | — | designed | |
| AFN-002591 | A | R1 SO2Me · R2 Br · Ar Thiophen-2-yl | C15H12BrN3O2S2 | 410.3 | 4.11 | 72.0 | 0 | — | designed | |
| AFN-002592 | A | R1 SO2Me · R2 Br · Ar Thiophen-3-yl | C15H12BrN3O2S2 | 410.3 | 4.11 | 72.0 | 0 | — | designed | |
| AFN-002593 | A | R1 SO2Me · R2 Br · Ar Furan-3-yl | C15H12BrN3O3S | 394.3 | 3.65 | 85.1 | 0 | — | designed | |
| AFN-002594 | A | R1 SO2Me · R2 Br · Ar 1-Me-pyrazol-4-yl | C15H14BrN5O2S | 408.3 | 2.79 | 89.8 | 1 | 7.68 | tested | |
| AFN-002595 | A | R1 SO2Me · R2 Br · Ar 1-Me-indol-3-yl | C20H17BrN4O2S | 457.4 | 4.54 | 76.9 | 0 | — | designed | |
| AFN-002596 | A | R1 SO2Me · R2 Br · Ar Naphthalen-2-yl | C21H16BrN3O2S | 454.4 | 5.21 | 72.0 | 0 | — | designed | |
| AFN-002597 | A | R1 SO2Me · R2 Br · Ar Pyrimidin-5-yl | C15H12BrN5O2S | 406.3 | 2.84 | 97.7 | 0 | — | designed | |
| AFN-002598 | A | R1 SO2Me · R2 Br · Ar Quinolin-3-yl | C20H15BrN4O2S | 455.3 | 4.60 | 84.8 | 0 | — | designed | |
| AFN-002599 | A | R1 SO2Me · R2 Br · Ar 6-MeO-pyridin-3-yl | C17H15BrN4O3S | 435.3 | 3.46 | 94.1 | 0 | — | designed |
Properties calculated with RDKit offline, not at runtimeSubstructure: our own screen fingerprint, then VF2 matching — no RDKit at runtimepIC50 mut = mean of approved fits on ASY-EGFR-TM-03